Vitas-M small molecule compound

(E)-{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}[3-methyl-4-(2-methylpropoxy)phenyl]methanolate

Catalog ID
STL528421
SMILES COc1cc(cc(c1OC)OC)C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)C)OCC(C)C)/[O-]

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C29H38N2O7 MW 526.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H38N2O7/c1-17(2)16-38-21-10-9-19(13-18(21)3)26(32)24-25(31(12-11-30(4)5)29(34)27(24)33)20-14-22(35-6)28(37-8)23(15-20)36-7/h9-10,13-15,17,25,32H,11-12,16H2,1-8H3/b26-24+
InChIKey
LJIGCLVESUPCJN-SHHOIMCASA-N
Synonyms
608492-07-5
(~(E))(1(2(dimethylazaniumyl)ethyl)45dioxo2(345trimethoxyphenyl)pyrrolidin3ylidene)(3methyl4(2methylpropoxy)phenyl)methanolate
(E)(1(2(dimethylammonio)ethyl)45dioxo2(345trimethoxyphenyl)pyrrolidin3ylidene)(3methyl4(2methylpropoxy)phenyl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXO2(345TRIMETHOXYPHENYL)PYRROLIDIN3YLIDENE)(3METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
5947818
608492075
InChI=1SC29H38N2O7c117(2)16382110919(1318(21)3)26(32)2425(31(121130(4)5)29(34)27(24)33)201422(356)28(378)23(1520)367h9101315172532H111216H218H3b2624+
MFCD31753864
ZINC000103910670
ZINC000103910675

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Available files

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